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CHEBI:65203 - Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2-OH-24:0)(2−)

ChEBI IDCHEBI:65203
ChEBI NameIns-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2-OH-24:0)(2−)
Stars
ASCII NameIns-1-P-6-Man-beta1-6-Ins-1-P-Cer(t18:0/2-OH-24:0)(2-)
DefinitionAn inositol phosphomannosylinositol phosphophytoceramide(2−) having a tetracosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 of the very-long-chain fatty acid. Major species at pH 7.3.
Last Modified18 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC60H115NO26P2
Net Charge-2
Average Mass1328.509
Monoisotopic Mass1327.71935
SMILESCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COP(=O)([O-])O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCC
InChIInChI=1S/C60H117NO26P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(63)59(77)61-39(43(64)40(62)35-33-31-29-27-25-16-14-12-10-8-6-4-2)37-82-88(78,79)87-58-54(75)50(71)49(70)53(74)57(58)85-60-55(76)45(66)44(65)42(84-60)38-83-89(80,81)86-56-51(72)47(68)46(67)48(69)52(56)73/h39-58,60,62-76H,3-38H2,1-2H3,(H,61,77)(H,78,79)(H,80,81)/p-2/t39-,40?,41?,42+,43-,44+,45-,46-,47-,48+,49+,50+,51+,52+,53-,54+,55-,56-,57+,58+,60-/m0/s1
InChIKeyJNTPDJPEDWWEHF-KWMAHWNISA-L
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2-OH-24:0)(2−) (CHEBI:65203) is a inositol phosphomannosylinositol phosphophytoceramide(2−) (CHEBI:64992)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2-OH-24:0)(2−) (CHEBI:65203) is conjugate base of Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2-OH-24:0) (CHEBI:60445)
Incoming Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2-OH-24:0) (CHEBI:60445) is conjugate acid of Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2-OH-24:0)(2−) (CHEBI:65203)
IUPAC Name 
(2S,3S)-3,4-dihydroxy-2-[(2-hydroxytetracosanoyl)amino]octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[6-O-({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinato)-β-D-mannopyranosyl]oxy}cyclohexyl phosphate